Search NASA⌕ Search

SEARCH · Search NASA

Results for “structural modification”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Structural fatigue in the 34-meter HA-Dec antennas

Structural modifications to the 34-m hour-angle-declination antennas, coupled with the use of the antennas beyond their intended lifespans, have led to structural fatigue, as evidenced by damage to the declination drive gear and cracks on the structural members and gussets. An analysis and simulation were made of the main antenna structural members. The analysis showed that the total stress to the antenna structure substantially exceeds the maximum levels recommended by the American Institute of Steel Construction (AISC). Although each of the separate static conditions of stress is only 50 percent of the total stress and does not reach the AISC reduced yield limit, fatigue can and did occur, causing the material to crack in the weakest places.

Vanhek, R. A.↗
NASA NTRS1992

Flight test operations using an F-106B research airplane modified with a wing leading-edge vortex flap

Flight tests of an F-106B aircraft equipped with a leading-edge vortex flap, which represented the culmination of a research effort to examine the effectiveness of the flap, were conducted at the NASA Langley Research Center. The purpose of the flight tests was to establish a data base on the use of a wing leading-edge vortex flap as a means to validate the design and analysis methods associated with the development of such a vortical flow-control concept. The overall experiment included: refinements of the design codes for vortex flaps; numerous wind tunnel entries to aid in verifying design codes and determining basic aerodynamic characteristics; design and fabrication of the flaps, structural modifications to the wing tip and leading edges of the test aircraft; development and installation of an aircraft research instrumentation system, including wing and flap surface pressure measurements and selected structural loads measurements; ground-based simulation to assess flying qualities; and finally, flight testing. This paper reviews the operational aspects associated with the flight experiment, which includes a description of modifications to the research airplane, the overall flight test procedures, and problems encountered. Selected research results are also presented to illustrate the accomplishments of the research effort.

Dicarlo, Daniel J.↗
NASA NTRS1989

Reanalysis, compatibility and correlation in analysis of modified antenna structures

A simple computational procedure is synthesized to process changes in the microwave-antenna pathlength-error measure when there are changes in the antenna structure model. The procedure employs structural modification reanalysis methods combined with new extensions of correlation analysis to provide the revised rms pathlength error. Mainframe finite-element-method processing of the structure model is required only for the initial unmodified structure, and elementary postprocessor computations develop and deal with the effects of the changes. Several illustrative computational examples are included. The procedure adapts readily to processing spectra of changes for parameter studies or sensitivity analyses.

Levy, R.↗
NASA NTRS1982

Recent advances in the chemical modification of unsaturated polymers

The present discussion has the objective to update the most comprehensive reviews on the considered subject and to fill in the gaps of less complete, but more modern treatments. Only simple chemical functionalization or structural modification of unsaturated polymers are covered, and the literature of diene polymer modification since 1974 is emphasized. Attention is given to hydrogenation, halogenation and hydrohalogenation, cyclization, cis-trans isomerization, epoxidation, ene and other cycloaddition reactions, sulfonation, carboxylation, phosphonylation, sulfenyl chloride addition, carbene addition, metalation, and silylation. It is pointed out that modern synthetic reagents and catalysts have been advantageously employed to improve process and/or product quality. Synthetic techniques have been refined to allow the selective modification of specific polymer microstructures or blocks.

Schulz, D. N.↗
DOE OSTI2020

Boosting Photoelectric Conductivity in Porphyrin-Based MOFs Incorporating C 60

Electronic structure calculations show that guest C60 in the porphyrin-containing metal organic frameworks Zn 2 (TCPB)(DA-ZnP) (DA-MOF; H 4 TCPB = 1,2,4,5-tetrakis(4-carboxyphenyl)benzene, DA-ZnP = [5,15-bis[(4-pyridyl)ethynyl]-10,20-diphenylporphinato]zinc(II)) and Zn 2 (TCPB)(F-ZnP) (F-MOF; F-ZnP = [5,15-di(4-pyridyl)-10,20-bis(pentafluorophenyl)porphinato]zinc(II)) engenders high photoelectrical conductivity due to efficient donor–acceptor charge-transfer (CT) interactions. Structural modifications at the meso position of the porphyrin influence the preferred positions of C 60 within the frameworks, giving rise to host–guest interactions with different anisotropic structural, electronic, and optoelectronic properties. A preferred slipped-parallel π-stacked interaction of C 60 that is predicted for NH 2 -substituted DA-MOF and F-MOF fosters strong CT transitions and lowers band gaps by ~1.0 eV compared to the pristine DA-MOF and F-MOF. Hopping rates computed using Marcus theory are found to be anisotropic and accelerated by multiple orders of magnitude across π-stacked interfaces created by C 60 incorporation, a consequence of strong electronic coupling between initial and final diabatic states. Calculations indicate that photoinduced electron transfer, as well as direct CT from porphyrin to C 60 upon irradiation, triggers a charge separation process that leads to the formation of what should be long-lived electron-trapped states at the heterojunctions. Lastly, design principles revealed here for the control of photophysical and electron-transfer processes will be useful for constructing new MOF-derived visible- and infrared-based optoelectronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

From p- to n-Type Mixed Conduction in Isoindigo-Based Polymers through Molecular Design

Organic mixed ionic and electronic conductors are of significant interest for bioelectronic applications. Here, we use three different isoindigoid building blocks to obtain polymeric mixed conductors with vastly different structural and electronic properties which can be further fine-tuned through the choice of comonomer unit. We show how careful design of the isoindigoid scaffold can afford highly planar polymer structures with high degrees of electronic delocalization, while subtle structural modifications can control the dominant charge carrier (hole or electron) when probed in organic electrochemical transistors. We employ a combination of experimental and computational techniques to probe electrochemical, structural and mixed ionic and electronic properties of the polymer series which in turn allows us to derive important structure-property relations for this promising class of materials in the context of organic bioelectronics. Ultimately, we use these findings to outline robust molecular design strategies for isoindigo-based mixed conductors that can support efficient p-type, n-type and ambipolar transistor operation in an aqueous environment.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Modification of integrated partial payload lifting assembly

The Integrated Partial Payload Lifting Assembly (IPPLA) is currently used to transport and load experimental payloads into the cargo bay of the Space Shuttle. It is unable to carry the astronaut/passenger tunnel without a structural modification. The purpose of this design is to create a removalbe modification that will allow the IPPLA to lift and carry the passenger tunnel. Modifications evaluated were full-length insert beams which would extend through the existing strongback arms. These beam proposals were eliminated because of high cost and weight. Other proposals evaluated were attachments of cantilever beams to the existing strongback areas. The cantilever proposals reduced cost and weight compared to the full-length modifications. A third method evaluated was to simply make modifications to one side of the IPPLA therefore reducing the materials of the cantilever proposals by 40 percent. The design of the modification selected was completed with two channel beams jointly welded to a centered steel plate. The extension arm modification is inserted into the existing strongback channel beams and bolted into place. Two extension arms are added to one side of the IPPLA to provide the extra length needed to accommodate the passenger tunnel. The center counterbalance will then be offset about 20 inches to center gravity and therefore maintain horizontal status. The extension arm modification was selected because of minimum cost, low weight, and minimal installation time.

Groah, Melodie↗
DOE OSTI2026

Simplifying the Chemical Design of Nonfused-Ring Electron Acceptors─Lessons Learned from Thienothiophene and Benzodithiophene Cores

Nonfused-ring electron acceptors (NFREA)s have been proposed as alternatives to fused-ring acceptors in organic photovoltaics (OPV)s. The simpler molecular design of NFREAs results in a reduced synthetic complexity, potentially lowering manufacturing costs, and easier access to desired optoelectronic properties by structural modifications. However, they have not seen the same rise in popularity as fused nonfullerene acceptors (NFA)s due to their lower performances in devices. In this work, we explore structure–property relationships of three NFREA molecules based on thieno[3,2-b]thiophene (TT) and benzo[1,2-b:4,5-b′]dithiophene (BDT) cores and malononitrile functionalized-isatin end group acceptors. We describe their synthetic routes, computational analysis, and photophysical and electronic properties. Here, we investigated the effect of changing the core from TT to BDT on electronic properties of the molecules─a result of raising/lowering of the frontier molecular orbital (FMO) levels. We also explored the effect of branched vs nonbranched alkyl groups on the morphological and blend-capabilities in bulk heterojunction (BHJ) OPV devices. These effects were then reflected in the overall device performances, primarily due to favorable FMO energy alignment between the NFREA and polymer. To investigate the behavior of the excited states of the NFREAs within the active layer of the devices, we performed time-resolved microwave conductivity and transient absorption experiments, which confirmed that the TT molecules exhibited very low conductance while the BDT molecule showed moderate photoconductance. Our combined theoretical, synthetic, device, and charge carrier dynamics studies of these materials reveal the central role that structure–property relationships play in future molecular designs of NFREAs that can perform as well as their fused counterparts.

14 SOLAR ENERGY↗
DOE OSTI2025

Tuning the Conformations of an M4L4 Cage and Their Impact on Catalysis

Enzymes catalyze chemical reactions with remarkable rate enhancements and selectivity. Supramolecular catalysis seeks to understand and emulate these outcomes, leveraging noncovalent interactions, electric fields, and controlled active site microenvironments to enhance catalysis in an enzyme-like fashion. The effects of conformational dynamics on supramolecular catalysts and assemblies are, however, relatively unexplored, despite their crucial role in enzyme rate enhancement. Here, we elucidate the conformational landscape of a model M4L4 supramolecular host through a rational approach: stabilizing a high-energy conformer through distal ligand modification and a transient intermediate state through symmetry-matched guest encapsulation, as well as tuning the conformer distribution through same-charge metal exchange at the host vertices. Each of these structural modifications induces a substantial shift in the host's conformational landscape, offering insights into the rational design of conformationally dynamic cages and enzymes. Although the thermodynamic properties of the dynamic Ga4L412- cage can be influenced by temperature, solvent, and guest binding, we find that conformational change occurs on a time scale that renders it rate-limiting in a model catalytic reaction, precluding rate enhancement through conformational selection. This concept is illustrated by locking the catalytically inactive conformer to a high-energy conformer that is catalytically competent. These findings demonstrate that precise modulation of the conformational landscape of supramolecular hosts provides an effective strategy for controlling their catalytic activity and binding.

Catalysis↗
DOE OSTI2021

Monolignol acyltransferase for lignin p-hydroxybenzoylation in Populus

Plant lignification exhibits significant plasticity. Lignin in many species including Populus spp. has long been known decorated with p-hydroxybenzoates. However, the molecular basis for such structural modification remains undetermined. Here we report the identification and characterization of a Populus BAHD family acyltransferase that catalyzes monolignol p-hydroxybenzoylation, thus controlling the formation of p-hydroxybenzoylated lignin structures. We reveal that Populus acyltransferase PHBMT1 kinetically preferentially utilizes p-hydroxybenzoyl-CoA to acylate syringyl lignin monomer sinapyl alcohol in vitro. Consistently, disrupting PHBMT1 in Populus via CRISPR/Cas9 gene editing nearly completely depletes p-hydroxybenzoates of stem lignin; conversely, overexpression of PHBMT1 enhances stem lignin p-hydroxybenzoylation, suggesting PHBMT1 functions as a prime monolignol p-hydroxybenzoyltransferase in planta. Altering lignin p-hydroxybenzoylation significantly changes lignin solvent dissolution rate, indictive of its structural significance on lignin physiochemical properties. Identification of monolignol p-hydroxybenzoyltransferase offers a valuable tool for tailoring lignin structure and physiochemical properties and for engineering the industrially important platform chemical in woody biomass.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Nanostructural Analysis of Enzymatic and Non-enzymatic Brown Rot Fungal Deconstruction of the Lignocellulose Cell Wall†

Brown rot (BR) decay mechanisms employ carbohydrate-active enzymes (CAZymes) as well as a unique non-enzymatic chelator-mediated Fenton (CMF) chemistry to deconstruct lignocellulosic materials. Unlike white rot fungi, BR fungi lack peroxidases for lignin deconstruction, and also lack some endoglucanase/cellobiohydrolase activities. The role that the CMF mechanism plays in “opening up” the wood cell wall structure in advance of enzymatic action, and any interaction between CMF constituents and the selective CAZyme suite that BRs possess, is still unclear. Expression patterns for CMF redox metabolites and lytic polysaccharide monooxygenase (LPMO–AA9 family) genes showed that some LPMO isozymes were upregulated with genes associated with CMF at early stages of brown rot by Gloeophyllum trabeum. In the structural studies, wood decayed by the G. trabeum was compared to CMF-treated wood, or CMF-treated wood followed by treatment with either the early-upregulated LPMO or a commercial CAZyme cocktail. Structural modification of decayed/treated wood was characterized using small angle neutron scattering. CMF treatment produced neutron scattering patterns similar to that of the BR decay indicating that both systems enlarged the nanopore structure of wood cell walls to permit enzyme access. Enzymatic deconstruction of cellulose or lignin in raw wood samples was not achieved via CAZyme cocktail or LPMO enzyme action alone. CMF treatment resulted in depolymerization of crystalline cellulose as attack progressed from the outer regions of individual crystallites. Multiple pulses of CMF treatment on raw wood showed a progressive increase in the spacing between the cellulose elementary fibrils (EFs), indicating the CMF eroded the matrix outside the EF bundles, leading to less tightly packed EFs. Peracetic acid delignification treatment enhanced subsequent CMF treatment effects, and allowed both enzyme systems to further increase spacing of the EFs. Moreover, even after a single pulse of CMF treatment, both enzymes were apparently able to penetrate the cell wall to further increase EF spacing. The data suggest the potential for the early-upregulated LPMO enzyme to work in association with CMF chemistry, suggesting that G. trabeum may have adopted mechanisms to integrate non-enzymatic and enzymatic chemistries together during early stages of brown rot decay.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1984

Report of the Panel on Guidance, Navigation, and Control

Guidance, navigation, and control (GNC) systems have historically been vital to improving operational capability of aircraft. The development of autopilots and electronic navigation systems has greatly aided the crew in flying precise routes in all weather conditions while at the same time reducing pilot workload. Advances in high-integrity onboard computing and electronics technology have resulted in a significant increase in the capability of these subsystems to perform more reliably, efficiently, and safely. Onboard computing and control system capability has provided new design approaches for the aircraft designer. By using automatic control systems to stabilize the aircraft, the designer can relax certain conventional aerodynamic stability requirements and achieve aircraft performance benefits. Thus, modern fighter aircraft are designed with low levels, or in fact, negative levels of longitudinal static stability to boost maneuvering capability and cruise performance, relying on the use of full-time, full-authority automatic stability augmentation systems to stabilize the aircraft. During the next 20 years, GNC systems will become a driving force in aircraft design. Instead of making separately designed major aircraft systems work together, the designer will exploit the interaction and integration of aerodynamic, structural, and propulsion system controls to provide a better aircraft. The benefits of such integrated designs have been demonstrated already. Integrated digital control of the engine inlet and autopilot systems on a NASA YF-12 research aircraft resulted in a range increase of 7 percent. A civil transport derivative using extensions on each wing and an active control system to minimize the requirement for structural modifications achieved significant cruise performance improvements. These are first-generation applications of advanced GNC systems. More significant benefits are achievable by the year 2000. Complete integration of aerodynamic, propulsion and structural controls, and mission avionics will provide dramatically better aircraft performance, new capability (low observability, supermaneuverability) and/or improved mission effectiveness. This requires a concurrent, multidisciplinary design approach early in the design stage. The role of advanced GNC systems in future aircraft is not an option.

Fraser, Donald C.↗
DOE OSTI2020

Random Polymerization Strategy Leads to a Family of Donor Polymers Enabling Well‐Controlled Morphology and Multiple Cases of High‐Performance Organic Solar Cells

Abstract Developing high‐performance donor polymers is important for nonfullerene organic solar cells (NF‐OSCs), as state‐of‐the‐art nonfullerene acceptors can only perform well if they are coupled with a matching donor with suitable energy levels. However, there are very limited choices of donor polymers for NF‐OSCs, and the most commonly used ones are polymers named PM6 and PM7, which suffer from several problems. First, the performance of these polymers (particularly PM7) relies on precise control of their molecular weights. Also, their optimal morphology is extremely sensitive to any structural modification. In this work, a family of donor polymers is developed based on a random polymerization strategy. These polymers can achieve well‐controlled morphology and high‐performance with a variety of chemical structures and molecular weights. The polymer donors are D–A1–D–A2‐type random copolymers in which the D and A1 units are monomers originating from PM6 or PM7, while the A2 unit comprises an electron‐deficient core flanked by two thiophene rings with branched alkyl chains. Consequently, multiple cases of highly efficient NF‐OSCs are achieved with efficiencies between 16.0% and 17.1%. As the electron‐deficient cores can be changed to many other structural units, the strategy can easily expand the choices of high‐performance donor polymers for NF‐OSCs.

Liang, Jiaen↗
DOE OSTI2025

Electronic Structure Distortions in Chromium Chelates Impair Redox Kinetics in Flow Batteries

Aminopolycarboxylate chelates are emerging as a promising class of electrolyte materials for aqueous redox flow batteries, offering tunable redox potentials, solubility, and pH stability through careful selection of ligands and transition metal ions. Despite their potential, the impact of molecular structure modifications on the electronic and electrochemical properties of these chelates remains underexplored. Here, in this study, we examine how introducing a hydroxyl group, often employed for its solubilizing properties, to the backbone of CrPDTA, a reference chelate material, significantly changes the thermodynamics and kinetics of the chelate's redox process. We correlate changes in molecular and electronic structures to different electrochemical responses resulting from the hydroxyl addition and show that the introduction of this functional group leads to a distortion in the octahedral coordination of chromium. Furthermore, increased anisotropic spin density and nonintegral oxidation state changes in the Cr metal center result in a larger barrier for electron transfer in CrPDTA‐OH. It is demonstrated that preserving a hexacoordinate chelate structure across a broad pH range is crucial for efficient flow battery application and it is emphasized that ligand modifications must avoid distorting the octahedral coordination of the transition metal.

25 ENERGY STORAGE↗
NASA NTRSDate not supplied

Simulation of Lift plus Cruise Vehicle Models to Define a Full-Scale Crash Test Campaign

A series of dynamic simulations were completed on the National Aeronautics and Space Administration(NASA) Lift plus Cruise (LPC) concept electric Vertical Take-off and Landing (eVTOL) vehicle in preparation for an anticipated future full-scale crash-test campaign. The crash test campaign is envisioned as a data gathering exercise with an intent generating full-scale test data to inform eVTOL crashworthiness regulations, evaluate the use of energy absorbing concepts within vehicle design, and validate finite element modeling techniques used in crashworthiness predictions. This report discusses the two main objectives for the simulation efforts: the development of a structural cabin section, and a series of analyses utilized to determine the sensitivities of impact variables. A structural cabin section was created based from previous research efforts involving the LPC vehicle utilized for occupant response. To refine for the structural modifications, the wing and tail sections of the vehicle were removed. The tail was replaced with a representative mass at the aft of the fuselage. The overhead wing was replaced with a beam structure sized to approximate the bending response of the wing under crash loading conditions. The beam structure was fixed to the fuselage similar to the original Wingbox design in order to properly capture effects of this overhead mass on survivable volume within the vehicle. The fidelity of the fuselage frame structure within the FEM was increased to quantify the effect of frame sizing on structural response. From this an eVTOL test article design was developed, which satisfied basic crashworthiness requirements, was reconfigurable to assess the effect of various design avenues on structural response and optimized to improve manufacturability. The impact variable sensitivity results primarily show the orientation of the impact vector played a major role in types of injuries sustained, along with their severity. The vehicle was largely insensitive to small variations in pitch attitude but highly sensitive to both impact surface at certain angles and landing gear location.

eVTOL↗
DOE OSTI2021

Structure and Potential–Dependent Selectivity in Redox–Metallopolymers: Electrochemically Mediated Multicomponent Metal Separations

Electro-responsive functional materials can play a critical role in selective metal recovery and recycling due to the need for molecular differentiation between transition metals in complex mixtures. Redox-active metallopolymers are a promising platform for electrochemical separations, offering versatile structural tuning and fast electron transfer. First, through a judicious selection of polymer structure between a main-chain metallopolymer (polyferrocenylsilane) and a pendant-group metallopolymer (polyvinylferrocene), charge-transfer interactions and binding strength toward competing metal ions are tuned, which as a result, dictate selectivity. For example, almost an order of magnitude increase in separation factor between chromate and meta-vanadate can be achieved, depending on polymer structure. Second, these metallopolymer electrodes exhibit potential-dependent selectivity that can even flip ion preference, based solely on electrical means—indicating a control parameter that is orthogonal to structural modifications. Finally, this work presents a framework for evaluating electrochemical separations in multicomponent ion mixtures and elucidates the underlying charge-transfer mechanisms resulting in molecular selectivity through a combination of spectroscopy and electronic structure calculations. Furthermore, the findings demonstrate the applicability of redox-metallopolymers in tailored electrochemical separations for environmental remediation, value-added metal recovery, waste recycling, and even mining processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Out-of-Plane Magnetic Anisotropy Engineered via Band Distortion in Two-Dimensional Materials

We unveil the connection between magnetic anisotropy and band structures in Γ-specialized In 2 Se 3 /Fe 3 GeTe 2 heterostructure, through first-principles calculations. A significant band distortion occurs near the Γ point with a formed valley. As the band-distortion-caused valley moves relative to the quasivalence band maximum, the magnetic anisotropy switches between in-plane and out-of-plane magnetic anisotropy. Such a rule applies to either the strained or polarization-switched In 2 Se 3 /Fe 3 GeTe 2 heterostructure. Furthermore, these findings demonstrate the feasibility of predicting the magnetic anisotropy by band structure modification in two-dimensional magnetic systems.

2-dimensional systems↗
NASA NTRS2000

The SR-71 Test Bed Aircraft: A Facility for High-Speed Flight Research

The SR-71 test bed aircraft is shown to be a unique platform to flight-test large experiments to supersonic Mach numbers. The test bed hardware mounted on the SR-71 upper fuselage is described. This test bed hardware is composed of a fairing structure called the "canoe" and a large "reflection plane" flat plate for mounting experiments. Total experiment weights, including the canoe and reflection plane, as heavy as 14,500 lb can be mounted on the aircraft and flight-tested to speeds as fast as Mach 3.2 and altitudes as high as 80,000 ft. A brief description of the SR-71 aircraft is given, including details of the structural modifications to the fuselage, modifications to the J58 engines to provide increased thrust, and the addition of a research instrumentation system. Information is presented based on flight data that describes the SR-71 test bed aerodynamics, stability and control, structural and thermal loads, the canoe internal environment, and reflection plane flow quality. Guidelines for designing SR-71 test bed experiments are also provided.

Corda, Stephen↗